6FCB

Human Methionine Adenosyltransferase II mutant (P115G)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97624
Spacegroup name	I 2 2 2
Unit cell lengths	66.330, 94.870, 117.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.360 - 2.700
R-factor	0.1942
Rwork	0.192
R-free	0.23407
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a1i
RMSD bond length	0.012
RMSD bond angle	1.587
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.360	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.162	0.564
Rmeas	0.197	0.693
Rpim	0.111	0.397
Number of reflections	8945	1216
<I/σ(I)>	5.2	2
Completeness [%]	86.7	89.6
Redundancy	4.4	4.3
CC(1/2)	0.979	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1M HEPES 35% PEG600